LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
Thompson, Aidan P., Aktulga, H. Metin, Berger, Richard, Bolintineanu, Dan S., Brown, W. Michael, Crozier, Paul S., in 't Veld, Pieter J., Kohlmeyer, Axel +7 more·2022·Computer Physics Communications
Cites (240)
Items 201–239 of 239
- Energy surface and lifetime of magnetic skyrmionsV. M. Uzdin, M.N. Potkina, I. S. Lobanov, Pavel F. Bessarab, Hannes Jónsson · 2017 · Journal of Magnetism and Magnetic Materials
- Group-theoretical high-order rotational invariants for structural representations: Application to linearized machine learning interatomic potentialAtsuto Seko, Atsushi Togo, Isao Tanaka · 2019 · Physical review. B./Physical review. B
- Aspherical particle models for molecular dynamics simulationTrung Dac Nguyen, Steven J. Plimpton · 2019 · Computer Physics Communications
- Efficient particle labeling in atomistic simulationsSimone Meloni, Mario Rosati, Luciano Colombo · 2007 · The Journal of Chemical Physics
- Origins of the anomalous stress behavior in charged colloidal suspensions under shearAmit Kumar, J. J. L. Higdon · 2010 · Physical Review E
- Extension and evaluation of the multilevel summation method for fast long-range electrostatics calculationsStan Moore, Paul Crozier · 2014 · The Journal of Chemical Physics
- Vibration induced flow in hoppers: DEM 2D polygon modelFeras Younis Fraige, Paul A. Langston, A.J. Matchett, John A. Dodds · 2008 · Particuology
- LAMMPS implementation of rapid artificial neural network derived interatomic potentialsDoyl Dickel, Mashroor S. Nitol, Christopher D. Barrett · 2021 · Computational Materials Science
- Evidence for percolation diffusion of cations and reordering in disordered pyrochlore from accelerated molecular dynamicsRomain Perriot, Blas Pedro Uberuaga, Richard J. Zamora, Danny Pérez, Arthur F. Voter · 2017 · Nature Communications
- Probing eukaryotic cell mechanics via mesoscopic simulationsKirill Lykov, Yasaman Nematbakhsh, Menglin Shang, Chwee Teck Lim, Igor V. Pivkin · 2017 · PLoS Computational Biology
- Optimizing legacy molecular dynamics software with directive-based offloadW. Michael Brown, Jan‐Michael Y. Carrillo, Nitin Gavhane, Foram M. Thakkar, Steven J. Plimpton · 2015 · Computer Physics Communications
- Dynamic load balancing algorithm for molecular dynamics based on Voronoi cells domain decompositionsJean‐Luc Fattebert, David F. Richards, James N. Glosli · 2012 · Computer Physics Communications
- Multiscale in time and stability analysis of operator split solution procedures applied to thermomechanical problemsChristophe Kassiotis, Jean‐Baptiste Colliat, Adnan Ibrahimbegović, Hermann Georg Matthies · 2009 · Engineering Computations
- Incorporating surface polarization effects into large-scale coarse-grained Molecular Dynamics simulationTrung Dac Nguyen, Honghao Li, Debarshee Bagchi, Francisco J. Solis, Mónica Olvera de la Cruz · 2019 · Computer Physics Communications
- A two-temperature model of radiation damage in α-quartzCarolyn L. Phillips, Rudolph J Magyar, Paul Crozier · 2010 · The Journal of Chemical Physics
- SEM++: A particle model of cellular growth, signaling and migrationFlorian Milde, Gerardo Tauriello, Hannah Haberkern, Petros Koumoutsakos · 2014 · Computational Particle Mechanics
- Atomistic modeling of long-term evolution of twist boundaries under vacancy supersaturationEnrique Martínez, Alfredo Caro · 2012 · Physical Review B
- Spin-lattice model for cubic crystalsP. Nieves, Julien Tranchida, S. Arapan, Dominik Legut · 2021 · Physical review. B./Physical review. B
- Embedded-ion method: An analytical energy-conserving charge-transfer interatomic potential and its application to the La-Br systemXiaowang Zhou, F. Patrick Doty · 2008 · Physical Review B
- Fast and robust algorithm for energy minimization of spin systems applied in an analysis of high temperature spin configurations in terms of skyrmion densityAleksei V. Ivanov, V. M. Uzdin, Hannes Jónsson · 2020 · Computer Physics Communications
- Empirical variable-charge models for titanium oxides: A study in transferabilityBronwyn S. Thomas, Nigel A. Marks, Bruce D. Begg · 2004 · Physical Review B
- Peridynamic model for microballistic perforation of multilayer grapheneStewart A. Silling, Müge Fermen‐Coker · 2021 · Theoretical and Applied Fracture Mechanics
- Rupture mechanism of liquid crystal thin films realized by large-scale molecular simulationsTrung Dac Nguyen, Jan‐Michael Y. Carrillo, Michael A. Matheson, W. Michael Brown · 2013 · Nanoscale
- Atomistic simulation of phonon and magnon thermal transport across the ferromagnetic-paramagnetic transitionYanguang Zhou, Julien Tranchida, Yijun Ge, Jayathi Y. Murthy, Timothy S. Fisher · 2020 · Physical review. B./Physical review. B
- Size- and temperature-dependent magnetization of iron nanoclustersGonzalo dos Santos, Romina Aparicio, D. H. Linares, Enrique N. Miranda, Julien Tranchida, G. M. Pastor, Eduardo M. Bringa · 2020 · Physical review. B./Physical review. B
- A Method for Molecular Dynamics on Curved SurfacesStefan Paquay, Rémy Kusters · 2016 · Biophysical Journal
- The MolSSI Driver Interface Project: A framework for standardized, on-the-fly interoperability between computational molecular sciences codesTaylor Barnes, Eliseo Marin‐Rimoldi, Samuel Ellis, T. Daniel Crawford · 2020 · Computer Physics Communications
- Efficient optimization method for finding minimum energy paths of magnetic transitionsAleksei V. Ivanov, D Dagbartsson, Julien Tranchida, V. M. Uzdin, Hannes Jónsson · 2020 · Journal of Physics Condensed Matter
- Neural network potential from bispectrum components: A case study on crystalline siliconHoward Yanxon, David Zagaceta, Brandon C. Wood, Qiang Zhu · 2020 · The Journal of Chemical Physics
- Highly scalable discrete-particle simulations with novel coarse-graining: accessing the microscaleTimothy I. Mattox, James P. Larentzos, Stan Moore, Christopher D. Stone, Daniel Ibanez, Aidan P. Thompson, Martin Lísal A, John K. Brennan, Steven J. Plimpton · 2018 · Molecular Physics
- Comparison of modern Langevin integrators for simulations of coarse-grained polymer meltsJ. Finkelstein, Giacomo Fiorin, Benjamin Seibold · 2019 · Molecular Physics
- Dynamic magnetocaloric effect in bcc iron and hcp gadoliniumPui-Wai Ma, S. L. Dudarev · 2014 · Physical Review B
- Catastrophic depolymerization of microtubules driven by subunit shape changeJonathan A. Bollinger, Mark J. Stevens · 2018 · Soft Matter
- Developing community codes for materials modelingSteven J. Plimpton, Julian D. Gale · 2013 · Current Opinion in Solid State and Materials Science
- Importance of corners in fracture of highly crosslinked polymeric adhesivesMark J. Stevens · 2018 · The Journal of Chemical Physics
- Rendezvous algorithms for large-scale modeling and simulationSteven J. Plimpton, Chris Knight · 2020 · Journal of Parallel and Distributed Computing
- Beryllium-driven structural evolution at the divertor surfaceMary Alice Cusentino, Mitchell A. Wood, Aidan P. Thompson · 2021 · Nuclear Fusion
- Magnetostructural Transition Kinetics in Shocked IronMichael P. Surh, Lorin X. Benedict, Babak Sadigh · 2016 · Physical Review Letters
- Rapid Exploration of Optimization Strategies on Advanced Architectures using TestSNAP and LAMMPSRahulkumar Gayatri, Stan Moore, Evan S. Weinberg · 2020 · arXiv (Cornell University)